Ionic Charges and Hydrogen Bonding in Polymer Systems

本工作的目的是提出一种新的电解质模型 解决方案通过增加贡献的远程电荷-电荷 相互作用（亨德森，1983年）到扰动各向异性链理论 （PACT）（Vimalchand，1985，1986），其需要短程分子- 分子间的相互作用。 由于所用的介电常数 在原始模型中，仅适用于溶剂化效应， 离子附近的电荷分子相互作用， 离子与溶液本体中的分子的相互作用（即， 未溶剂化的那些）也被导出并包括在理论中。 电解质溶液，尤其是电解质水溶液， 常见于环境、生物体和工业过程中。 它们的热力学性质在分离中起着重要的作用， 发酵和纯化过程中的许多行业。 因此，对热力学性质预测的兴趣 电解质溶液在过去十年中得到了发展。

The purpose of this work is to present a new model for electrolyte solutions by adding contributions for long-range charge-charge interactions (Henderson, 1983) to Perturbed-Anisotropic-Chain theory (PACT) (Vimalchand, 1985, 1986) which takes short-range molecule- molecule interactions into account. Since dielectric constants used in the primitive model are only for solvation effects caused by charge-molecule interactions near ions, additional terms for the interactions of ions with molecules in the bulk of the solution (i.e. those not solvated) are derived and included in the theory as well. Electrolyte Solutions, especially aqueous electrolyte solutions, are common in the environment, living organisms, and industrial processes. Their thermodynamic properties play an important role in separation, fermentation and purification processes in numerous industries. Therefore, interest in the prediction of thermodynamic properties of electrolyte solutions has grown over the past decade.